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Ioxynil chemical structure, C7H3I2NO, CAS 1689-83-4
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless crystalline solid
Melting point
212 to 213
Boiling point
Ca. 140
Solubility
SOLUBILITY IN WATER @ 20-25 °C: 22% /LITHIUM SALT/, 14% /SODIUM SALT/, 10.7% /POTASSIUM…
HS code
292690
Category
Herbicides
UN number
UN 2588
Illustrative photo, colourless crystals beside a jumbo bulk bag in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Ioxynil?

Plain description, key identifiers and synonyms

Ioxynil is a nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a nitrile and an iodophenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-hydroxy-3,5-diiodobenzonitrile
CAS number
1689-83-4 CAS number cross-checked
EC number
216-881-1
Molecular formula
C7H3I2NO
UNII
8Y734M4V9E
MDL number
MFCD00016422
InChIKey
NRXQIUSYPAHGNM-UHFFFAOYSA-N
InChI
InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
SMILES (canonical and isomeric)
C1=C(C=C(C(=C1I)O)I)C#N

Synonyms

  • 4-Hydroxy-3,5-diiodobenzonitrile
  • Actril
  • Bentrol
  • 3,5-Diiodo-4-hydroxybenzonitrile
  • Trevespan
  • Certrol
  • Actrilawn
  • Cipotril
  • Joxynil
  • Loxynil
  • Iotox
  • Benzonitrile, 4-hydroxy-3,5-diiodo-
  • 2,6-Diiodo-4-cyanophenol
  • Bantrol
  • 4-Cyano-2,6-diiodophenol
  • 4-Cyano-2,6-dijodphenol
  • M&B 8873
  • ACP 63303
  • Benzonitrile, 3,5-diiodo-4-hydroxy-
  • 3,5-Dijod-4-hydroxy-benzonitril
  • CA 69-15
  • 4-Hydroxy-3,5-di-iodophenyl cyanide
  • Totril
  • Ioxynil 10 microg/mL in Acetonitrile
  • 4-hydroxy-3,5-diiodobenzenecarbonitrile
Show all 30 synonyms
  • 4-hydroxy-3,5-diiodo-benzonitrile
  • Certol
  • Ioxynil octanoate metabolite
  • 3-10-00-00373 (Beilstein Handbook Reference)
  • 3,5-diiodo-4-hydroxylbenzonitrile

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Colorless crystalline solidexp.
Odour
Faint phenolic /tech grade/exp.
Melting point
212 to 213exp.
Boiling point
Ca. 140exp.
Solubility
SOLUBILITY IN WATER @ 20-25 °C: 22% /LITHIUM SALT/, 14% /SODIUM SALT/, 10.7% /POTASSIUM SALT/exp.
Vapour pressure
2.77 × 10⁻⁵ mm Hg at 105 °C /Octanoate/exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
370.92 g/molcalc.
Exact mass
370.8304 Dacalc.
LogP (octanol/water)
2.47calc.
Topological polar surface area
44.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H301Toxic if swallowed.
  • H312Harmful in contact with skin.
  • H319Causes serious eye irritation.
  • H331Toxic if inhaled.
  • H361dSuspected of damaging the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (25)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2588
Transport hazard class
6.1
Packing group
III

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ioxynil suppliers

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Ioxynil price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Molluscicide.

Selective contact herbicide with some systemic activity. Absorbed by the foliage...used for post-emergence control of a wide range of annual broad-leaved weeds, especially young seedlings of the Polygonaceae, Compositae, and Boraginaceae, in cereals, onions, leeks, garlic, shallots, flax, sugar cane, forage grasses, lawns, and newly-sown turf.

/It is used for/ post-emergence control for seedling weeds (bindweed, smartweed, buttercups, chickweed, cornflower, dandelion, fat hen, groundsel, mayweeds, mustards, plantains, shepherdspurse, speedwells, etc) in cereals. Belgran, certrol ds for sugar cane. Actril ds for sugarcane, citrus, rice, and oil palm. Iotox for sports turf.

Use classes: Pesticides, Pesticide transformation products, Herbicides, Transformation products.

Roles

  • environmental contaminant
  • herbicide
  • pesticide
  • xenobiotic

How it is made

By iodination of 4-hydroxybenzaldehyde, conversion to oxime, to acetate & hydrolysis to nitrile.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 608-007-00-6

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: 4-hydroxy-3,5-diiodobenzonitrile [1], 4-Cyano-2,6-diiodophenyl octanoate [2], Ref no: 1030, Annex ref: II/1030

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ioxynil is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ioxynil is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ioxynil, based on the data on this page

What is Ioxynil?

Ioxynil is a nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a nitrile and an iodophenol.

What is the CAS number of Ioxynil?

The CAS registry number of Ioxynil is 1689-83-4.

What is the molecular formula and weight of Ioxynil?

The molecular formula of Ioxynil is C7H3I2NO and its molar mass is 370.92 g/mol.

What is Ioxynil used for?

Molluscicide. Selective contact herbicide with some systemic activity. Absorbed by the foliage...used for post-emergence control of a wide range of annual broad-leaved weeds, especially young seedlings of the Polygonaceae, Compositae, and Boraginaceae, in cereals, onions, leeks, garlic, shallots, flax, sugar cane, for…

Is Ioxynil hazardous?

Ioxynil carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful in contact with skin, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ioxynil?

Ioxynil is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ioxynil?

CompoundList lists 9 suppliers of Ioxynil in China, Brazil, United Kingdom, India and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ioxynil in India?

1 supplier in India list Ioxynil on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ioxynil?

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Practical guides that help when you source, ship or handle Ioxynil

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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